N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide

C9H22N2O2S — CID 62008057

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide
SMILESCCN(C(CC)(CC)CN)S(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-5-9(6-2,8-10)11(7-3)14(4,12)13/h5-8,10H2,1-4H3
InChIKeyJAPSFCZDTVBWQY-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.79
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide (PubChem CID 62008057) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide
PubChem CID62008057
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide
SMILESCCN(C(CC)(CC)CN)S(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-5-9(6-2,8-10)11(7-3)14(4,12)13/h5-8,10H2,1-4H3
InChIKeyJAPSFCZDTVBWQY-UHFFFAOYSA-N
XLogP0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62008455
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-1,1-difluoromethanesulfonamide
CID 62008850
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoro-N-methylmethanesulfonamide
CID 62009249
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoro-N-propylmethanesulfonamide
CID 62009650
N-(1-amino-2-methylbutan-2-yl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 62010049
N-[3-(aminomethyl)pentan-3-yl]-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 83048673
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83067867
N-[4-[ethyl(methyl)amino]-3,4-dimethylhexan-3-yl]-N-methylmethanesulfonamide
CID 20780604
N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide
CID 58821495
N-methyl-N-[2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-yl]methanesulfonamide
CID 118241705
N-[2-methyl-3-(methylamino)pentan-2-yl]methanesulfonamide
CID 123829363
N-[2-(2-ethylbutylamino)ethyl]methanesulfonamide
CID 28731728

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide (CID 62008057) is N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide is CCN(C(CC)(CC)CN)S(C)(=O)=O.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide?
The InChIKey is JAPSFCZDTVBWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-5-9(6-2,8-10)11(7-3)14(4,12)13/h5-8,10H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 62008057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).